Task 38671645

Name test_456-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7311_1
Workunit 31613319
Created 25 Oct 2026, 21:07:25 UTC
Sent 25 Oct 2026, 21:07:26 UTC
Report deadline 30 Oct 2026, 21:07:26 UTC
Received 25 Oct 2026, 21:59:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654728
Run time 51 min 34 sec
CPU time 48 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.75 MB
Peak swap size 3.83 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:08:53 (2956): wrapper (7.9.26016): starting
16:08:53 (2956): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
16:08:55 (2956): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:08:55 (2956): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\4\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\4\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:59:10 (2956): C:/Windows/system32/cmd.exe exited; CPU time 2895.687500
16:59:10 (2956): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 37932131 bytes.
Dumping objects ->
{3835276} normal block at 0x00000278D4D25D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x00000278D4D25CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000278D4D25AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x00000278D4D25C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x00000278D4D26150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x00000278D6985840, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835188} normal block at 0x00000278D4D20A40, 8 bytes long.
 Data: <  &#205;&#212;x   > 00 00 CD D4 78 02 00 00 
{3833957} normal block at 0x00000278D4D20D10, 8 bytes long.
 Data: <@j&#158;&#214;x   > 40 6A 9E D6 78 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000278D4D22810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000278D4D10E20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000278D4D27370, 16 bytes long.
 Data: <&#232;f&#210;&#212;x           > E8 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000278D4D26F60, 16 bytes long.
 Data: <&#192;f&#210;&#212;x           > C0 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000278D4D1FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000278D4D27280, 16 bytes long.
 Data: < f&#210;&#212;x           > 98 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000278D4D275A0, 16 bytes long.
 Data: <pf&#210;&#212;x           > 70 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000278D4D26C40, 16 bytes long.
 Data: <Hf&#210;&#212;x           > 48 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000278D4D275F0, 16 bytes long.
 Data: < f&#210;&#212;x           > 20 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000278D4D25B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000278D4D27550, 16 bytes long.
 Data: <&#248;&#163;&#209;&#212;x           > F8 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000278D4D1FEB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000278D4D26BA0, 16 bytes long.
 Data: <&#208;&#163;&#209;&#212;x           > D0 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000278D4D26920, 16 bytes long.
 Data: <&#168;&#163;&#209;&#212;x           > A8 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000278D4D26B50, 16 bytes long.
 Data: < &#163;&#209;&#212;x           > 80 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000278D4D26F10, 16 bytes long.
 Data: <X&#163;&#209;&#212;x           > 58 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000278D4D26830, 16 bytes long.
 Data: <0&#163;&#209;&#212;x           > 30 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000278D4D26EC0, 16 bytes long.
 Data: < &#163;&#209;&#212;x           > 08 A3 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000278D4D208D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000278D4D27780, 16 bytes long.
 Data: <&#224;&#162;&#209;&#212;x           > E0 A2 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000278D4D1A2E0, 320 bytes long.
 Data: < w&#210;&#212;x   &#208; &#210;&#212;x   > 80 77 D2 D4 78 02 00 00 D0 08 D2 D4 78 02 00 00 
{274} normal block at 0x00000278D4D27410, 16 bytes long.
 Data: < f&#210;&#212;x           > 00 66 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000278D4D26B00, 16 bytes long.
 Data: <&#216;e&#210;&#212;x           > D8 65 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000278D4D1FA30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000278D4D27500, 16 bytes long.
 Data: <&#176;e&#210;&#212;x           > B0 65 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000278D4D20870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000278D4D26AB0, 16 bytes long.
 Data: <&#248;d&#210;&#212;x           > F8 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000278D4D27730, 16 bytes long.
 Data: <&#208;d&#210;&#212;x           > D0 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000278D4D26BF0, 16 bytes long.
 Data: <&#168;d&#210;&#212;x           > A8 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000278D4D276E0, 16 bytes long.
 Data: < d&#210;&#212;x           > 80 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000278D4D21490, 16 bytes long.
 Data: <Xd&#210;&#212;x           > 58 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000278D4D21260, 16 bytes long.
 Data: <0d&#210;&#212;x           > 30 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000278D4D213F0, 16 bytes long.
 Data: <&#160;[&#210;&#212;x           > A0 5B D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000278D4D25BA0, 40 bytes long.
 Data: <&#240; &#210;&#212;x   @X &#214;x   > F0 13 D2 D4 78 02 00 00 40 58 98 D6 78 02 00 00 
{260} normal block at 0x00000278D4D20C70, 16 bytes long.
 Data: < d&#210;&#212;x           > 10 64 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000278D4D211C0, 16 bytes long.
 Data: <&#232;c&#210;&#212;x           > E8 63 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000278D4D201B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000278D4D20C20, 16 bytes long.
 Data: <&#192;c&#210;&#212;x           > C0 63 D2 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000278D4D263C0, 992 bytes long.
 Data: <  &#210;&#212;x   &#176; &#210;&#212;x   > 20 0C D2 D4 78 02 00 00 B0 01 D2 D4 78 02 00 00 
{92} normal block at 0x00000278D4D1FBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000278D4D217B0, 16 bytes long.
 Data: <@&#249;&#209;&#212;x           > 40 F9 D1 D4 78 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000278D4D1F940, 40 bytes long.
 Data: <&#176; &#210;&#212;x   &#176;&#251;&#209;&#212;x   > B0 17 D2 D4 78 02 00 00 B0 FB D1 D4 78 02 00 00 
{69} normal block at 0x00000278D4D213A0, 16 bytes long.
 Data: < &#234; z&#246;           > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000278D4D21940, 16 bytes long.
 Data: <@&#233; z&#246;           > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000278D4D218F0, 16 bytes long.
 Data: <&#248;W z&#246;           > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000278D4D21350, 16 bytes long.
 Data: <&#216;W z&#246;           > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000278D4D21300, 16 bytes long.
 Data: <P  z&#246;           > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000278D4D214E0, 16 bytes long.
 Data: <0  z&#246;           > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000278D4D20DB0, 16 bytes long.
 Data: <&#224;  z&#246;           > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000278D4D20AE0, 16 bytes long.
 Data: <   z&#246;           > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000278D4D20EA0, 16 bytes long.
 Data: <p  z&#246;           > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000278D4D218A0, 16 bytes long.
 Data: < &#192; z&#246;           > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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